2-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-phenylbenzamide

C19H18FN3O — CID 47036680

IUPAC2-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-phenylbenzamide
SMILESCC(Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C19H18FN3O/c1-14(12-23-10-9-21-13-23)22-19(24)17-8-7-16(11-18(17)20)15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3,(H,22,24)
InChIKeyZUPXBYOZWRGSPD-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.51
Rot. Bonds5

About 2-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-phenylbenzamide

2-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-phenylbenzamide (PubChem CID 47036680) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-phenylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-phenylbenzamide
PubChem CID47036680
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name2-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-phenylbenzamide
SMILESCC(Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C19H18FN3O/c1-14(12-23-10-9-21-13-23)22-19(24)17-8-7-16(11-18(17)20)15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3,(H,22,24)
InChIKeyZUPXBYOZWRGSPD-UHFFFAOYSA-N
XLogP3.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422582
2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422583
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 94173055
2-methylpropyl (2S)-2-[[4-(4-cyanophenyl)-2-fluorobenzoyl]amino]-3-imidazol-1-ylpropanoate
CID 155543579
4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylbenzamide
CID 107025352
3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 61479380
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide
CID 65311773
4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 94159344
3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 105385748
3-(4-ethylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55965213
N-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide
CID 155511960
3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 54958933

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-phenylbenzamide?
The IUPAC name of 2-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-phenylbenzamide (CID 47036680) is 2-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-phenylbenzamide.
What is the SMILES notation for 2-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-phenylbenzamide?
The canonical SMILES for 2-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-phenylbenzamide is CC(Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1F.
What is the InChIKey of 2-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-phenylbenzamide?
The InChIKey is ZUPXBYOZWRGSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-14(12-23-10-9-21-13-23)22-19(24)17-8-7-16(11-18(17)20)15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3,(H,22,24).
What are the key properties of 2-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-phenylbenzamide?
2-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-phenylbenzamide has a molecular weight of 323.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-phenylbenzamide is sourced from PubChem (CID 47036680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).